3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide

C24H22ClN5O4S — CID 23122673

About 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide

3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide (PubChem CID 23122673) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide
• PubChem CID: 23122673
• Molecular Formula: C24H22ClN5O4S
• Molecular Weight: 511.99 g/mol
• Exact Mass: 511.11
• IUPAC Name: 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide
• SMILES: Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2cncnc2nc1OCc1ccc2c(c1)OCCN2C
• InChI: InChI=1S/C24H22ClN5O4S/c1-15-18(25)4-3-5-22(15)35(31,32)29-19-11-17-12-26-14-27-23(17)28-24(19)34-13-16-6-7-20-21(10-16)33-9-8-30(20)2/h3-7,10-12,14,29H,8-9,13H2,1-2H3
• InChIKey: QMZUOMRBWFMDDX-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.99
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide?

The IUPAC name of 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide (CID 23122673) is 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide?

The canonical SMILES for 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2cncnc2nc1OCc1ccc2c(c1)OCCN2C.

What is the InChIKey of 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide?

The InChIKey is QMZUOMRBWFMDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-15-18(25)4-3-5-22(15)35(31,32)29-19-11-17-12-26-14-27-23(17)28-24(19)34-13-16-6-7-20-21(10-16)33-9-8-30(20)2/h3-7,10-12,14,29H,8-9,13H2,1-2H3.

What are the key properties of 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide?

3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide has a molecular weight of 511.99 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-methyl-N-[7-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[2,3-d]pyrimidin-6-yl]benzenesulfonamide is sourced from PubChem (CID 23122673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).